2-morpholin-4-yl-5-nitro-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H28N6O5S2 MolecularWeight: 580.67842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H28N6O5S2/c34-25(22-18-21(33(36)37)7-8-23(22)31-13-15-38-16-14-31)29-27(39)28-19-3-5-20(6-4-19)30-9-11-32(12-10-30)26(35)24-2-1-17-40-24/h1-8,17-18H,9-16H2,(H2,28,29,34,39)